CHEBI:105799 - N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine

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ChEBI Name N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine ChEBI ID CHEBI:105799 ChEBI ASCII Name N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine Definition A sphingomyelin 36:3 in which the fatty acyl and sphingoid portions are specified as oleoyl and (4E,14Z)-sphingadienine respectively. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C41H79N2O6P Net Charge 0 Average Mass 727.051 Monoisotopic Mass 726.56758 InChI InChI=1S/C41H79N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h11,13,20-21,32,34,39-40,44H,6-10,12,14-19,22-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b13-11-,21-20-,34-32+/t39-,40+/m0/s1 InChIKey YMTVMVYOUDDTQJ-UOMMIRHQSA-N SMILES [C@@H]([C@@H](/C=C/CCCCCCCC/C=C\CCC)O)(COP(OCC[N+](C)(C)C)(=O)[O-])NC(=O)CCCCCCC/C=C\CCCCCCCC Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: MetaboLights Study Homo sapiens (NCBI:txid9606) See: PubMed Homo sapiens (NCBI:txid9606) See: MetaboLights Study Homo sapiens (NCBI:txid9606) See: MetaboLights Study ChEBI Ontology Outgoing N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine (CHEBI:105799) has functional parent oleic acid (CHEBI:16196) N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine (CHEBI:105799) has functional parent sphinga-4E,14Z-dienine (CHEBI:73889) N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine (CHEBI:105799) is a sphingomyelin 36:3 (CHEBI:72520) IUPAC Name (2S,3R,4E,14Z)-3-hydroxy-2-{[(9Z)-octadec-9-enoyl]amino}octadeca-4,14-dien-1-yl 2-(trimethylazaniumyl)ethyl phosphate Synonyms Sources N-(9Z-octadecenoyl)-4E,14Z-sphingadienine-1-phosphocholine LIPID MAPS SM(d18:2/18:1) LIPID MAPS sphingomyelin d18:2/18:1 ChEBI Manual Xref Database LMSP03010047 LIPID MAPS View more database links Citation Type Source 25502724 PubMed citation Europe PMC Last Modified 06 April 2016